Glycoside
...
GD001831

Name:
None

Formula:
C32H31O12N2Cl

Smiles:
COc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](O)[C@H]4OC(=O)c4ccc(C)[nH]4)c(Cl)c3oc2=O)ccc1O

Aglycone:
COc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.32
AlogP: 3.87 Num_rotatable_bonds: 8
MolWt: 659.04 Num_heavy_atoms: 46
TPSA: 199.01 NumAromaticRings: 4

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD01790
Formula: C18H12O7NCl

Smiles:
COc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.06
AlogP: 2.82 Num_rotatable_bonds: 3
MolWt: 377.74 Num_heavy_atoms: 26
TPSA: 129.23 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C